Coulomb binding energy is reduced when a few-molecule integer charge transfer complex (ICTC) is formed.
}}, author = {{Dong, Chuan-Ding and Schumacher, Stefan}}, issn = {{2050-7526}}, journal = {{Journal of Materials Chemistry C}}, keywords = {{Materials Chemistry, General Chemistry}}, number = {{34}}, pages = {{11929--11935}}, publisher = {{Royal Society of Chemistry (RSC)}}, title = {{{Molecular doping in few-molecule polymer-dopant complexes shows reduced Coulomb binding}}}, doi = {{10.1039/d0tc02185g}}, volume = {{8}}, year = {{2020}}, } @article{20582, author = {{Berger, Bernd and Schmidt, Daniel and Ma, Xuekai and Schumacher, Stefan and Schneider, Christian and Höfling, Sven and Assmann, Marc}}, journal = {{Physical Review B}}, number = {{24}}, pages = {{245309}}, publisher = {{American Physical Society}}, title = {{{Formation dynamics of exciton-polariton vortices created by nonresonant annular pumping}}}, doi = {{10.1103/PhysRevB.101.245309}}, volume = {{101}}, year = {{2020}}, } @article{40443, author = {{Pukrop, Matthias and Schumacher, Stefan}}, issn = {{2470-0045}}, journal = {{Physical Review E}}, number = {{1}}, publisher = {{American Physical Society (APS)}}, title = {{{Externally controlled Lotka-Volterra dynamics in a linearly polarized polariton fluid}}}, doi = {{10.1103/physreve.101.012207}}, volume = {{101}}, year = {{2020}}, } @article{19190, abstract = {{Polarons in dielectric crystals play a crucial role for applications in integrated electronics and optoelectronics. In this work, we use density-functional theory and Green's function methods to explore the microscopic structure and spectroscopic signatures of electron polarons in lithium niobate (LiNbO3). Total-energy calculations and the comparison of calculated electron paramagnetic resonance data with available measurements reveal the formation of bound polarons at Nb_Li antisite defects with a quasi-Jahn-Teller distorted, tilted configuration. The defect-formation energies further indicate that (bi)polarons may form not only at Nb_Li antisites but also at structures where the antisite Nb atom moves into a neighboring empty oxygen octahedron. Based on these structure models, and on the calculated charge-transition levels and potential-energy barriers, we propose two mechanisms for the optical and thermal splitting of bipolarons, which provide a natural explanation for the reported two-path recombination of bipolarons. Optical-response calculations based on the Bethe-Salpeter equation, in combination with available experimental data and new measurements of the optical absorption spectrum, further corroborate the geometries proposed here for free and defect-bound (bi)polarons.}}, author = {{Schmidt, Falko and Kozub, Agnieszka L. and Biktagirov, Timur and Eigner, Christof and Silberhorn, Christine and Schindlmayr, Arno and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2643-1564}}, journal = {{Physical Review Research}}, number = {{4}}, publisher = {{American Physical Society}}, title = {{{Free and defect-bound (bi)polarons in LiNbO3: Atomic structure and spectroscopic signatures from ab initio calculations}}}, doi = {{10.1103/PhysRevResearch.2.043002}}, volume = {{2}}, year = {{2020}}, } @article{17066, author = {{Aldahhak, Hazem and Powroźnik, Paulina and Pander, Piotr and Jakubik, Wiesław and Dias, Fernando B. and Schmidt, Wolf Gero and Gerstmann, Uwe and Krzywiecki, Maciej}}, issn = {{1932-7447}}, journal = {{The Journal of Physical Chemistry C}}, number = {{124}}, pages = {{6090--6102}}, title = {{{Toward Efficient Toxic-Gas Detectors: Exploring Molecular Interactions of Sarin and Dimethyl Methylphosphonate with Metal-Centered Phthalocyanine Structures}}}, doi = {{10.1021/acs.jpcc.9b11116}}, year = {{2020}}, } @article{17069, author = {{Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2643-1564}}, journal = {{Physical Review Research}}, number = {{2}}, title = {{{Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}}}, doi = {{10.1103/physrevresearch.2.022024}}, volume = {{2}}, year = {{2020}}, } @article{19194, author = {{Biktagirov, Timur and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{2643-1564}}, journal = {{Physical Review Research}}, title = {{{Spin decontamination for magnetic dipolar coupling calculations: Application to high-spin molecules and solid-state spin qubits}}}, doi = {{10.1103/physrevresearch.2.022024}}, year = {{2020}}, } @article{19193, author = {{Niederhausen, Jens and MacQueen, Rowan W. and Lips, Klaus and Aldahhak, Hazem and Schmidt, Wolf Gero and Gerstmann, Uwe}}, issn = {{0743-7463}}, journal = {{Langmuir}}, pages = {{9099--9113}}, title = {{{Tetracene Ultrathin Film Growth on Hydrogen-Passivated Silicon}}}, doi = {{10.1021/acs.langmuir.0c01154}}, year = {{2020}}, } @article{19654, author = {{Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero}}, issn = {{2470-1343}}, journal = {{ACS Omega}}, pages = {{24057--24063}}, title = {{{Photochemical Ring Opening of Oxirane Modeled by Constrained Density Functional Theory}}}, doi = {{10.1021/acsomega.0c03483}}, year = {{2020}}, } @article{22883, author = {{Zuo, R and Song, X and Meier, Torsten and Yang, W}}, issn = {{1742-6588}}, journal = {{Journal of Physics: Conference Series}}, number = {{8}}, title = {{{Carrier-wave population transfer in semiconductors}}}, doi = {{10.1088/1742-6596/1412/8/082005}}, volume = {{1412}}, year = {{2020}}, } @inproceedings{20680, author = {{Kappe, Fabian and Wituschek, Simon and Lechner, Michael and Bobbert, Mathias and Meschut, Gerson and Merklein, Marion}}, location = {{Darmstadt }}, title = {{{Investigation of influencing parameters on the joint formation of the self-piercing riveting process}}}, year = {{2020}}, } @article{41432, author = {{Fuchs, Christian}}, journal = {{tripleC: Communication, Capitalism & Critique}}, number = {{1}}, pages = {{1--285}}, title = {{{Communicative Socialism/Digital Socialism}}}, doi = {{https://doi.org/10.31269/triplec.v18i1.1149}}, volume = {{18}}, year = {{2020}}, }